CID 204764

Wv 1117

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC(C)N(C)C
InChI
InChI=1S/C17H27NO3/c1-11(2)15-9-16(21-14(5)19)12(3)8-17(15)20-10-13(4)18(6)7/h8-9,11,13H,10H2,1-7H3
InChIKey
CPJBHSSHBZRAAZ-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 171.4
[M+Na]+ 316.18832 177.0
[M-H]- 292.19182 176.3
[M+NH4]+ 311.23292 187.8
[M+K]+ 332.16226 177.2
[M+H-H2O]+ 276.19636 164.4
[M+HCOO]- 338.19730 192.7
[M+CH3COO]- 352.21295 214.5
[M+Na-2H]- 314.17377 169.3
[M]+ 293.19855 177.6
[M]- 293.19965 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.